SCHEMBL2292509

SCHEMBL2292509

Cc1cc(=O)oc2c(F)c(OS(=O)(=O)O)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 7/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALPI P09923 4/20 0.42
MAOA P21397 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ERN1 O75460 1/20 0.39
MCL1 Q07820 3/20 0.39
LMNA P02545 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MAOB P27338 1/20 0.38
MGAM O43451 1/20 0.38
TP53 P04637 1/20 0.38
SI P14410 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10265067 0.81 MAOA (0.52) ALPLCYP1A2TSHRHSD17B10MAOA
SCHEMBL29446704 0.78 MAOA (0.41) ALPLCYP1A2TSHRHSD17B10MAOA
SCHEMBL329996 0.78 MAOA (0.41) ALPLCYP1A2TSHRHSD17B10MAOA
SCHEMBL8570332 0.78 KDM4E (0.57) ALPLCYP1A2TSHRHSD17B10ALPI
SCHEMBL21215541 0.78 MAOA (0.40) ALPLCYP1A2TSHRHSD17B10ALPI
SCHEMBL10205344 0.78 KDM4E (0.46) ALPLCYP1A2TSHRHSD17B10MAOA
Ammonia Solution, Strong SCHEMBL629298 0.77 L3MBTL1 (0.41) CYP1A2TSHRHSD17B10MAOAL3MBTL1
SCHEMBL18576687 0.76 ALPL (0.42) ALPLCYP1A2TSHRHSD17B10ALPI
SCHEMBL2291350 0.75 KDM4E (0.51) ALPLTSHRHSD17B10ALPIMAOA
SCHEMBL29391372 0.75 MCL1 (0.55) CYP1A2HSD17B10MAOAL3MBTL1ERN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9631219-B2 Metabolic rate indicator for cellular populations NALCO COMPANY (US) 2017-04-25 US disclosed
WO-2011106363-A2 METABOLIC RATE INDICATOR FOR CELLULAR POPULATIONS NALCO COMPANY (US) 2011-09-01 WO disclosed
US-20110207111-A1 METABOLIC RATE INDICATOR FOR CELLULAR POPULATIONS ECOLAB USA INC. 2011-08-25 US disclosed